Information card for entry 2003377

Structure parameters

• Formula: C28 H28 N4 O8 Zn2
• Calculated formula: C28 H28 N4 O8 Zn2
• SMILES: C1(/C=C/C)=[O][Zn]34([n]5ccc(cc5)C#N)OC(/C=C/C)=[O][Zn]([n]2ccc(C#N)cc2)(O1)([O]=C(/C=C/C)O3)OC(/C=C/C)=[O]4
• Title of publication: Contrasting Structures of Two Adducts of Zinc Crotonate with Substituted Pyridines
• Authors of publication: Clegg, W.; Hunt, P. A.; Straughan, B. P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 613 - 617
• a: 12.0761 ± 0.0006 Å
• b: 12.2729 ± 0.0006 Å
• c: 21.0414 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3118.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for all reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.074
• Goodness-of-fit parameter for all reflections: 1.062
• Goodness-of-fit parameter for significantly intense reflections: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes